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Tersoff_LAMMPS__MD_077075034781_003

Title
A single sentence description.
Model driver for Tersoff-style potentials ported from LAMMPS v003
Description Model driver that supports parametrizations of the Tersoff-style three-body potential. It is ported from LAMMPS and supports the same format for parameter files. The commonly used variants by Tersoff and Nord/Albe/Erhart/Nordlund are supported, see source citations for details.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Content Origin Ported from LAMMPS
Contributor TobiasBrink
Maintainer TobiasBrink
Author Tobias Brink
Publication Year 2019
Item Citation

This Model Driver originally published in [1-3] is archived in OpenKIM [4-6].

[1] Tersoff J. New empirical approach for the structure and energy of covalent systems. Phys Rev B. 1988;37(12):6991–7000. doi:10.1103/PhysRevB.37.6991

[2] Tersoff J. Modeling solid-state chemistry: Interatomic potentials for multicomponent systems. Phys Rev B. 1989;39:5566–8. doi:10.1103/PhysRevB.39.5566

[3] Nord J, Albe K, Erhart P, Nordlund K. Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride. J Phys: Condens Matter. 2003;15:5649. doi:10.1088/0953-8984/15/32/324

[4] Brink T. Model driver for Tersoff-style potentials ported from LAMMPS v003. OpenKIM; 2019. doi:10.25950/55b7b34e

[5] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[6] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
MD_077075034781_003
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
Tersoff_LAMMPS__MD_077075034781_003
DOI 10.25950/55b7b34e
https://doi.org/10.25950/55b7b34e
https://search.datacite.org/works/10.25950/55b7b34e
KIM Item TypeModel Driver
KIM API Version2.0.2
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
87.92% C++
12.08% Python
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2019-05-05T17:20:12.188289 karls